#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6g s SER 2 N 0.00 0.05 -0.14 1.61 1.04 -1.26 -5.10 113.70 109.90 1x6g s SER 2 Ca 0.00 -1.20 -0.35 0.00 0.48 0.00 0.00 55.95 54.88 1x6g s SER 2 Cb 0.00 0.46 -0.12 0.00 0.10 0.00 0.00 66.02 66.46 1x6g s SER 2 CO 0.00 -0.96 1.89 -0.24 0.98 0.00 0.00 173.24 174.90 1x6g n SER 3 N -0.31 3.23 0.00 7.02 2.88 -1.26 -4.93 113.62 120.24 1x6g n SER 3 Ca 0.00 0.95 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 1x6g n SER 3 Cb 0.64 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 1x6g n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x6g n GLY 4 N 4.52 1.08 2.71 0.46 0.00 -1.26 -5.12 105.19 107.57 1x6g n GLY 4 Ca 0.24 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.54 1x6g n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x6g s SER 5 N -0.87 0.84 0.38 1.61 1.04 -1.26 -5.15 113.70 110.29 1x6g s SER 5 Ca 0.00 0.09 -0.09 0.00 0.48 0.00 0.00 55.95 56.43 1x6g s SER 5 Cb 0.00 -0.10 -0.06 0.00 0.10 0.00 0.00 66.02 65.96 1x6g s SER 5 CO 0.00 -0.22 0.71 -0.55 0.98 0.00 0.00 173.24 174.16 1x6g s SER 6 N 1.90 6.49 0.00 7.02 0.15 -1.26 -5.06 113.70 122.94 1x6g s SER 6 Ca 0.01 1.01 0.00 0.00 0.70 0.00 0.00 55.95 57.67 1x6g s SER 6 Cb -0.12 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 1x6g s SER 6 CO -0.03 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.66 1x6g n GLY 7 N -1.26 2.04 3.77 9.45 0.00 -1.26 -5.14 105.19 112.79 1x6g n GLY 7 Ca 0.01 0.37 -0.40 0.00 0.00 0.00 0.00 46.02 46.00 1x6g n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x6g s ARG 8 N 0.00 4.08 0.03 1.61 3.52 -1.26 -5.03 118.95 121.90 1x6g s ARG 8 Ca 0.00 2.31 0.00 0.00 -0.13 0.00 0.00 55.73 57.91 1x6g s ARG 8 Cb 0.00 -2.89 -0.02 0.00 -1.56 0.00 0.00 34.95 30.48 1x6g s ARG 8 CO 0.00 -0.46 -0.03 -1.64 -0.81 0.00 0.00 175.30 172.36 1x6g s MET 9 N -2.10 0.39 0.42 5.12 -1.94 -1.26 -5.15 119.30 114.78 1x6g s MET 9 Ca 0.54 -0.74 -0.23 0.00 -1.71 0.00 0.00 55.69 53.55 1x6g s MET 9 Cb -0.41 0.09 -0.09 0.00 2.01 0.00 0.00 34.83 36.42 1x6g s MET 9 CO 0.55 -0.05 1.05 -1.25 -0.01 0.00 0.00 175.02 175.31 1x6g s PRO 10 N -1.94 4.07 0.30 2.03 0.04 -1.26 -5.06 135.00 133.18 1x6g s PRO 10 Ca -0.11 1.49 0.10 0.00 0.04 0.00 0.00 61.00 62.51 1x6g s PRO 10 Cb -0.07 -2.43 -0.05 0.00 0.04 0.00 0.00 34.50 31.99 1x6g s PRO 10 CO -0.03 -0.22 -0.03 0.99 0.04 0.00 0.00 177.00 177.76 1x6g s THR 11 N -1.73 2.89 0.31 1.26 2.01 -1.26 -5.15 115.64 113.98 1x6g s THR 11 Ca 0.60 -2.02 -0.13 0.00 0.31 0.00 0.00 61.69 60.45 1x6g s THR 11 Cb -0.21 -2.73 0.02 0.00 0.01 0.00 0.00 72.50 69.59 1x6g s THR 11 CO 0.26 -0.29 0.60 -0.13 -0.69 0.00 0.00 174.62 174.37 1x6g s ARG 12 N -3.67 1.84 0.45 4.92 0.52 -1.26 -5.14 118.95 116.61 1x6g s ARG 12 Ca 0.33 -1.35 0.00 0.00 -0.52 0.00 0.00 55.73 54.19 1x6g s ARG 12 Cb -0.03 0.53 0.00 0.00 0.52 0.00 0.00 34.95 35.97 1x6g s ARG 12 CO 0.19 -0.81 0.00 0.54 0.02 0.00 0.00 175.30 175.24 1x6g n ARG 13 N -0.47 -2.96 -2.99 3.54 5.12 -1.26 -4.76 116.66 112.88 1x6g n ARG 13 Ca -0.03 2.20 -0.39 0.00 -1.93 0.00 0.00 57.85 57.69 1x6g n ARG 13 Cb 0.61 -3.57 -0.06 0.00 -1.16 0.00 0.00 32.46 28.27 1x6g n ARG 13 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1x6g s TRP 14 N -3.20 3.90 0.61 -1.55 0.51 -1.26 -5.06 118.94 112.88 1x6g s TRP 14 Ca 0.00 1.62 -0.02 0.00 -2.12 0.00 0.00 56.10 55.58 1x6g s TRP 14 Cb 0.00 -2.76 0.04 0.00 -0.81 0.00 0.00 33.47 29.94 1x6g s TRP 14 CO 0.00 0.51 0.87 0.00 -0.51 0.00 0.00 176.95 177.82 1x6g s ALA 15 N -1.17 3.58 -0.27 0.98 0.00 -1.26 -4.78 121.76 118.83 1x6g s ALA 15 Ca 0.36 -1.12 -0.29 0.00 0.00 0.00 0.00 51.96 50.91 1x6g s ALA 15 Cb -0.23 -2.31 -0.00 0.00 0.00 0.00 0.00 23.12 20.58 1x6g s ALA 15 CO 0.26 -0.94 1.33 -1.25 0.00 0.00 0.00 175.76 175.16 1x6g s PRO 16 N -4.95 3.94 0.00 0.00 0.04 -1.26 -2.85 135.00 129.93 1x6g s PRO 16 Ca 0.58 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1x6g s PRO 16 Cb -0.10 -3.88 0.00 0.00 0.04 0.00 0.00 34.50 30.55 1x6g s PRO 16 CO 0.41 -1.09 0.00 0.41 0.04 0.00 0.00 177.00 176.77 1x6g n GLY 17 N 4.27 0.83 3.82 0.56 0.00 0.27 -4.93 105.19 110.01 1x6g n GLY 17 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1x6g n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x6g s THR 18 N -1.58 4.94 -0.24 2.61 2.01 -1.13 -4.71 115.64 117.54 1x6g s THR 18 Ca 0.00 0.97 -0.23 0.00 0.31 0.00 0.00 61.69 62.74 1x6g s THR 18 Cb 0.00 -3.78 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 1x6g s THR 18 CO 0.00 0.57 0.75 -1.10 -0.69 0.00 0.00 174.62 174.15 1x6g s GLN 19 N -1.05 4.17 0.27 4.92 -0.21 -1.26 -1.17 119.66 125.33 1x6g s GLN 19 Ca 0.25 0.80 0.08 0.00 0.02 0.00 0.00 55.36 56.51 1x6g s GLN 19 Cb -0.18 -3.64 -0.04 0.00 1.00 0.00 0.00 33.01 30.16 1x6g s GLN 19 CO 0.15 -0.46 0.12 0.00 -2.12 0.00 0.00 175.29 172.98 1x6g s ILE 21 N -2.23 1.87 0.15 0.00 -1.09 0.40 -2.14 121.20 118.15 1x6g s ILE 21 Ca 0.33 -1.98 -0.12 0.00 -2.23 0.00 0.00 60.65 56.65 1x6g s ILE 21 Cb -0.07 -1.90 -0.07 0.00 -1.58 0.00 0.00 42.46 38.84 1x6g s ILE 21 CO 0.23 -0.34 0.50 0.42 -1.23 0.00 0.00 174.94 174.52 1x6g s THR 22 N -2.15 4.95 -0.09 2.92 -4.23 -1.24 0.90 115.64 116.71 1x6g s THR 22 Ca 0.17 0.62 0.15 0.00 -1.18 0.00 0.00 61.69 61.45 1x6g s THR 22 Cb -0.05 -3.68 -0.14 0.00 1.34 0.00 0.00 72.50 69.97 1x6g s THR 22 CO 0.07 0.18 0.91 0.11 -0.54 0.00 0.00 174.62 175.35 1x6g h LYS 23 N 3.36 0.00 -4.80 3.99 1.57 -1.89 -3.12 116.57 115.68 1x6g h LYS 23 Ca -0.48 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 57.91 1x6g h LYS 23 Cb 1.19 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.36 1x6g h LYS 23 CO 0.67 0.43 -0.55 0.00 -0.57 0.00 0.00 179.45 179.43 1x6g s GLU 25 N -3.75 3.21 -0.25 0.00 1.03 -1.26 -3.78 118.70 113.90 1x6g s GLU 25 Ca 0.39 -0.38 -0.01 0.00 0.03 0.00 0.00 54.97 55.00 1x6g s GLU 25 Cb 0.04 -2.97 0.08 0.00 -0.80 0.00 0.00 34.13 30.48 1x6g s GLU 25 CO 0.21 0.68 0.04 -1.58 -1.33 0.00 0.00 175.26 173.28 1x6g s HIS 26 N -1.18 1.64 -0.09 4.83 2.46 0.49 -4.88 115.29 118.56 1x6g s HIS 26 Ca 0.22 -1.44 0.15 0.00 0.47 0.00 0.00 55.06 54.46 1x6g s HIS 26 Cb -0.12 -1.45 -0.22 0.00 -0.13 0.00 0.00 32.58 30.66 1x6g s HIS 26 CO 0.13 -0.76 0.56 0.25 -2.47 0.00 0.00 174.74 172.45 1x6g n THR 27 N 4.87 1.44 -3.73 0.89 -2.24 -1.26 -0.92 114.28 113.33 1x6g n THR 27 Ca -0.07 -0.78 -0.30 0.00 -2.27 0.00 0.00 64.05 60.63 1x6g n THR 27 Cb 0.44 -0.83 -0.13 0.00 -2.10 0.00 0.00 70.33 67.71 1x6g n THR 27 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1x6g s ARG 28 N -2.66 1.25 0.97 -0.78 1.81 -1.26 -4.92 118.95 113.36 1x6g s ARG 28 Ca -0.06 -1.91 -0.14 0.00 -1.72 0.00 0.00 55.73 51.90 1x6g s ARG 28 Cb 0.08 -2.36 0.17 0.00 -0.45 0.00 0.00 34.95 32.39 1x6g s ARG 28 CO 0.83 -1.13 1.16 -1.25 -0.68 0.00 0.00 175.30 174.23 1x6g s PRO 29 N 0.50 0.68 1.15 3.54 0.04 -1.26 -5.05 135.00 134.60 1x6g s PRO 29 Ca 0.16 0.11 -0.17 0.00 0.04 0.00 0.00 61.00 61.15 1x6g s PRO 29 Cb -0.24 -1.80 0.26 0.00 0.04 0.00 0.00 34.50 32.76 1x6g s PRO 29 CO -0.03 -2.47 1.09 0.15 0.04 0.00 0.00 177.00 175.78 1x6g s LYS 30 N -5.40 -0.78 -0.87 4.56 1.02 -1.26 -4.86 119.74 112.14 1x6g s LYS 30 Ca 0.67 0.17 -0.25 0.00 0.02 0.00 0.00 55.97 56.58 1x6g s LYS 30 Cb -0.12 -1.63 0.00 0.00 -0.52 0.00 0.00 37.83 35.57 1x6g s LYS 30 CO 0.54 -3.46 1.65 -1.25 -0.92 0.00 0.00 175.35 171.90 1x6g s PRO 31 N -5.19 3.03 0.00 -1.68 0.04 -1.26 -1.97 135.00 127.96 1x6g s PRO 31 Ca 0.69 -0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.30 1x6g s PRO 31 Cb -0.14 -4.92 0.00 0.00 0.04 0.00 0.00 34.50 29.49 1x6g s PRO 31 CO 0.57 -2.67 0.00 0.41 0.04 0.00 0.00 177.00 175.35 1x6g n GLY 32 N 6.44 1.22 3.85 0.56 0.00 -1.26 -5.13 105.19 110.88 1x6g n GLY 32 Ca 0.28 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.07 1x6g n GLY 32 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x6g s GLU 33 N 0.00 2.36 0.22 1.61 2.02 -0.83 -4.74 118.70 119.34 1x6g s GLU 33 Ca 0.00 -1.77 0.06 0.00 0.02 0.00 0.00 54.97 53.28 1x6g s GLU 33 Cb 0.00 -2.19 -0.04 0.00 0.10 0.00 0.00 34.13 32.00 1x6g s GLU 33 CO 0.00 -0.32 0.16 -1.17 0.02 0.00 0.00 175.26 173.95 1x6g s LEU 34 N -4.13 3.78 0.17 1.80 2.96 -1.25 -4.74 118.68 117.27 1x6g s LEU 34 Ca 0.42 -0.22 0.04 0.00 -0.22 0.00 0.00 54.13 54.15 1x6g s LEU 34 Cb -0.01 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 1x6g s LEU 34 CO 0.24 0.01 0.20 0.00 -1.32 0.00 0.00 176.35 175.48 1x6g s ALA 35 N -1.98 3.72 -0.07 5.97 0.00 -1.26 -4.62 121.76 123.52 1x6g s ALA 35 Ca 0.32 -1.17 -0.29 0.00 0.00 0.00 0.00 51.96 50.82 1x6g s ALA 35 Cb -0.09 -1.52 0.11 0.00 0.00 0.00 0.00 23.12 21.62 1x6g s ALA 35 CO 0.24 0.49 0.89 -0.59 0.00 0.00 0.00 175.76 176.79 1x6g s PHE 36 N -1.78 -0.41 0.70 0.00 -0.12 -0.10 -5.02 117.98 111.24 1x6g s PHE 36 Ca 0.32 0.54 -0.02 0.00 -0.05 0.00 0.00 56.93 57.73 1x6g s PHE 36 Cb -0.10 0.48 0.11 0.00 -0.63 0.00 0.00 43.02 42.88 1x6g s PHE 36 CO 0.25 -0.48 0.97 1.03 -0.05 0.00 0.00 175.22 176.94 1x6g s ARG 37 N -1.99 1.82 -0.20 1.99 3.00 -1.26 0.19 118.95 122.49 1x6g s ARG 37 Ca -0.01 -0.96 -0.27 0.00 0.00 0.00 0.00 55.73 54.49 1x6g s ARG 37 Cb -0.01 -2.32 -0.00 0.00 0.00 0.00 0.00 34.95 32.61 1x6g s ARG 37 CO -0.02 -1.35 0.91 0.21 0.00 0.00 0.00 175.30 175.06 1x6g s LYS 38 N -5.12 4.27 0.00 3.54 2.20 -1.25 -3.72 119.74 119.66 1x6g s LYS 38 Ca 0.65 1.14 0.00 0.00 -0.36 0.00 0.00 55.97 57.40 1x6g s LYS 38 Cb -0.06 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.65 1x6g s LYS 38 CO 0.44 -0.47 0.00 0.41 -0.36 0.00 0.00 175.35 175.37 1x6g n GLY 39 N 3.46 0.67 3.73 5.54 0.00 -1.18 -4.95 105.19 112.46 1x6g n GLY 39 Ca 0.08 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 1x6g n GLY 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x6g s ASP 40 N -2.53 5.37 -0.16 1.61 -1.08 -1.24 -4.88 116.67 113.76 1x6g s ASP 40 Ca 0.00 0.06 -0.15 0.00 -0.52 0.00 0.00 52.55 51.93 1x6g s ASP 40 Cb 0.00 -1.47 -0.04 0.00 -1.46 0.00 0.00 42.92 39.95 1x6g s ASP 40 CO 0.00 0.27 0.35 -0.69 0.52 0.00 0.00 175.17 175.63 1x6g s VAL 41 N -1.14 5.26 -0.00 1.11 1.01 -1.26 -3.60 120.40 121.77 1x6g s VAL 41 Ca 0.21 0.67 0.01 0.00 0.00 0.00 0.00 61.98 62.87 1x6g s VAL 41 Cb -0.12 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.57 1x6g s VAL 41 CO 0.12 0.35 -0.03 0.68 0.00 0.00 0.00 175.10 176.22 1x6g s VAL 42 N 0.66 0.25 -0.16 2.92 -7.23 -0.91 -2.97 120.40 112.96 1x6g s VAL 42 Ca 0.19 -0.12 -0.18 0.00 -1.81 0.00 0.00 61.98 60.06 1x6g s VAL 42 Cb -0.14 -0.22 -0.04 0.00 0.56 0.00 0.00 36.38 36.54 1x6g s VAL 42 CO 0.06 0.08 0.50 -0.89 -0.31 0.00 0.00 175.10 174.53 1x6g s THR 43 N 0.00 5.15 -0.33 5.32 2.01 -1.09 -0.97 115.64 125.73 1x6g s THR 43 Ca 0.00 0.95 -0.28 0.00 0.31 0.00 0.00 61.69 62.67 1x6g s THR 43 Cb -0.02 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 1x6g s THR 43 CO -0.00 0.25 1.91 -0.63 -0.69 0.00 0.00 174.62 175.46 1x6g s ILE 44 N 1.11 3.36 -0.09 1.82 -1.09 -0.32 -1.41 121.20 124.58 1x6g s ILE 44 Ca 0.25 0.36 -0.01 0.00 -2.23 0.00 0.00 60.65 59.02 1x6g s ILE 44 Cb -0.15 -3.52 -0.00 0.00 -1.58 0.00 0.00 42.46 37.21 1x6g s ILE 44 CO 0.10 -0.35 -0.01 -0.07 -1.23 0.00 0.00 174.94 173.38 1x6g h LEU 45 N 14.33 0.00 -7.43 2.97 3.38 -0.10 0.77 115.31 129.24 1x6g h LEU 45 Ca -0.34 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.27 1x6g h LEU 45 Cb 1.19 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 41.57 1x6g h LEU 45 CO 1.03 0.46 -0.74 -0.70 0.09 0.00 0.00 178.44 178.58 1x6g s GLU 46 N -1.53 0.08 0.09 1.13 2.12 -0.90 -4.68 118.70 115.01 1x6g s GLU 46 Ca -0.01 0.25 -0.03 0.00 0.36 0.00 0.00 54.97 55.54 1x6g s GLU 46 Cb 0.00 -0.51 -0.05 0.00 0.26 0.00 0.00 34.13 33.83 1x6g s GLU 46 CO 0.01 -0.26 0.30 0.00 -0.54 0.00 0.00 175.26 174.77 1x6g s ALA 47 N 1.72 3.89 0.00 6.30 0.00 -1.26 -2.43 121.76 129.98 1x6g s ALA 47 Ca -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1x6g s ALA 47 Cb -0.12 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 21.00 1x6g s ALA 47 CO -0.03 0.73 0.00 0.00 0.00 0.00 0.00 175.76 176.46 1x6g n GLU 49 N 0.00 -0.55 0.00 0.00 1.02 -1.26 -4.54 120.64 115.32 1x6g n GLU 49 Ca 0.00 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.73 1x6g n GLU 49 Cb 0.00 -4.44 0.00 0.00 -0.02 0.00 0.00 31.44 26.98 1x6g n GLU 49 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1x6g n ASN 50 N 0.71 0.00 -0.11 1.62 2.85 -1.26 -4.99 115.26 114.08 1x6g n ASN 50 Ca -0.08 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.38 1x6g n ASN 50 Cb 0.38 0.04 -0.01 0.00 1.24 0.00 0.00 39.78 41.44 1x6g n ASN 50 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1x6g n LYS 51 N -1.17 -0.25 -1.09 1.20 5.02 -1.26 -4.75 118.16 115.86 1x6g n LYS 51 Ca 0.00 0.33 -0.03 0.00 -2.02 0.00 0.00 58.31 56.59 1x6g n LYS 51 Cb 0.00 -3.75 -0.01 0.00 -0.02 0.00 0.00 35.03 31.25 1x6g n LYS 51 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1x6g n SER 52 N 0.66 -0.56 -3.51 4.39 3.41 -1.26 -5.06 113.62 111.69 1x6g n SER 52 Ca -0.01 -1.16 -0.13 0.00 -0.26 0.00 0.00 58.87 57.31 1x6g n SER 52 Cb 0.08 0.20 -0.04 0.00 -0.26 0.00 0.00 64.21 64.19 1x6g n SER 52 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1x6g s TRP 53 N 0.02 -0.49 -0.03 7.33 0.52 -1.26 -3.65 118.94 121.38 1x6g s TRP 53 Ca 0.01 0.63 -0.01 0.00 0.02 0.00 0.00 56.10 56.76 1x6g s TRP 53 Cb 0.06 0.48 0.03 0.00 -1.15 0.00 0.00 33.47 32.89 1x6g s TRP 53 CO -0.02 -0.57 0.04 0.71 0.02 0.00 0.00 176.95 177.13 1x6g s TYR 54 N -2.10 0.08 -0.50 -1.98 1.51 0.64 -4.21 117.35 110.79 1x6g s TYR 54 Ca -0.03 0.16 -0.24 0.00 -1.01 0.00 0.00 57.07 55.96 1x6g s TYR 54 Cb -0.01 -0.35 0.04 0.00 -0.11 0.00 0.00 41.96 41.53 1x6g s TYR 54 CO -0.01 -0.13 0.87 0.50 -1.11 0.00 0.00 175.55 175.67 1x6g s ARG 55 N 1.48 3.38 0.36 -0.62 3.52 -1.02 0.04 118.95 126.09 1x6g s ARG 55 Ca -0.04 -0.17 0.06 0.00 -0.13 0.00 0.00 55.73 55.45 1x6g s ARG 55 Cb -0.13 -4.00 -0.07 0.00 -1.56 0.00 0.00 34.95 29.20 1x6g s ARG 55 CO -0.03 -1.31 0.00 0.14 -0.81 0.00 0.00 175.30 173.29 1x6g s VAL 56 N 3.64 1.72 -0.19 7.11 -7.23 -1.15 0.67 120.40 124.97 1x6g s VAL 56 Ca 0.31 -2.04 -0.03 0.00 -1.81 0.00 0.00 61.98 58.41 1x6g s VAL 56 Cb -0.12 -2.81 -0.01 0.00 0.56 0.00 0.00 36.38 34.00 1x6g s VAL 56 CO 0.21 -0.07 -0.08 -0.75 -0.31 0.00 0.00 175.10 174.11 1x6g s LYS 57 N -3.76 3.37 0.02 4.82 2.20 -0.50 -2.98 119.74 122.91 1x6g s LYS 57 Ca 0.34 -0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 55.00 1x6g s LYS 57 Cb 0.08 -2.88 -0.06 0.00 -1.51 0.00 0.00 37.83 33.47 1x6g s LYS 57 CO 0.16 -0.07 1.36 -1.58 -0.36 0.00 0.00 175.35 174.86 1x6g s HIS 58 N 1.12 3.01 0.00 4.03 5.65 0.21 -2.69 115.29 126.62 1x6g s HIS 58 Ca 0.01 0.93 0.00 0.00 0.25 0.00 0.00 55.06 56.25 1x6g s HIS 58 Cb -0.15 -3.62 0.00 0.00 -1.18 0.00 0.00 32.58 27.64 1x6g s HIS 58 CO -0.02 -2.20 0.57 1.58 -0.65 0.00 0.00 174.74 174.03 1x6g n HIS 59 N 4.97 0.00 -0.09 3.88 -0.00 -1.16 0.12 115.22 122.94 1x6g n HIS 59 Ca 0.12 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.22 1x6g n HIS 59 Cb 0.44 -0.21 -0.06 0.00 -0.12 0.00 0.00 29.99 30.04 1x6g n HIS 59 CO 0.00 0.00 0.00 1.15 0.46 0.00 0.00 176.34 177.95 1x6g h THR 60 N 0.00 0.00 0.25 3.57 2.02 -1.93 -2.55 112.91 114.27 1x6g h THR 60 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1x6g h THR 60 Cb 0.00 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.38 1x6g h THR 60 CO 0.00 0.00 -0.46 0.28 0.37 0.00 0.00 175.52 175.71 1x6g h SER 61 N -0.24 -1.32 0.00 4.18 0.02 -1.98 -3.46 113.55 110.75 1x6g h SER 61 Ca 0.04 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1x6g h SER 61 Cb 0.35 0.47 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1x6g h SER 61 CO -0.36 -0.53 0.00 0.61 -1.14 0.00 0.00 176.83 175.41 1x6g n GLY 62 N -1.46 0.92 4.01 -3.77 0.00 0.32 -5.03 105.19 100.18 1x6g n GLY 62 Ca -0.09 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 1x6g n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x6g s GLN 63 N -0.80 2.32 -0.13 1.61 -0.21 -1.23 -4.80 119.66 116.41 1x6g s GLN 63 Ca 0.00 -1.33 -0.01 0.00 0.02 0.00 0.00 55.36 54.04 1x6g s GLN 63 Cb 0.00 -2.59 0.04 0.00 1.00 0.00 0.00 33.01 31.46 1x6g s GLN 63 CO 0.00 -0.84 -0.04 -1.21 -2.12 0.00 0.00 175.29 171.08 1x6g s GLU 64 N -4.71 1.19 0.18 2.91 2.02 -1.26 -0.62 118.70 118.41 1x6g s GLU 64 Ca 0.61 -0.29 -0.08 0.00 0.02 0.00 0.00 54.97 55.23 1x6g s GLU 64 Cb -0.07 -1.67 -0.01 0.00 0.10 0.00 0.00 34.13 32.48 1x6g s GLU 64 CO 0.39 -0.38 0.27 0.20 0.02 0.00 0.00 175.26 175.76 1x6g s GLY 65 N 1.76 0.64 0.46 -1.39 0.00 -1.16 -4.99 107.32 102.64 1x6g s GLY 65 Ca 0.03 -1.03 -0.21 0.00 0.00 0.00 0.00 44.72 43.51 1x6g s GLY 65 CO -0.07 -0.92 1.02 1.08 0.00 0.00 0.00 173.10 174.21 1x6g s LEU 66 N -3.00 3.91 0.06 0.66 1.43 -1.26 -2.92 118.68 117.56 1x6g s LEU 66 Ca 0.21 1.89 0.06 0.00 -1.03 0.00 0.00 54.13 55.26 1x6g s LEU 66 Cb 0.04 -4.50 -0.03 0.00 0.03 0.00 0.00 46.19 41.73 1x6g s LEU 66 CO 0.03 -0.64 -0.16 -0.22 0.23 0.00 0.00 176.35 175.58 1x6g s LEU 67 N -3.29 2.23 -0.12 1.79 0.20 0.11 -3.85 118.68 115.76 1x6g s LEU 67 Ca 0.65 -0.56 -0.29 0.00 0.69 0.00 0.00 54.13 54.61 1x6g s LEU 67 Cb -0.16 -0.68 -0.05 0.00 -0.43 0.00 0.00 46.19 44.88 1x6g s LEU 67 CO 0.19 0.02 1.67 0.00 -0.29 0.00 0.00 176.35 177.95 1x6g s ALA 68 N -1.04 3.45 0.62 5.97 0.00 -1.26 -0.26 121.76 129.24 1x6g s ALA 68 Ca 0.02 0.77 0.29 0.00 0.00 0.00 0.00 51.96 53.04 1x6g s ALA 68 Cb -0.09 -3.80 1.54 0.00 0.00 0.00 0.00 23.12 20.77 1x6g s ALA 68 CO 0.02 -1.66 1.92 0.00 0.00 0.00 0.00 175.76 176.04 1x6g h ALA 69 N 10.23 1.81 -0.93 0.00 0.00 -1.86 0.61 119.26 129.13 1x6g h ALA 69 Ca -0.37 -0.01 -0.55 0.00 0.00 0.00 0.00 54.91 53.97 1x6g h ALA 69 Cb 1.17 0.02 -0.29 0.00 0.00 0.00 0.00 17.79 18.69 1x6g h ALA 69 CO 0.97 -0.53 0.60 0.41 0.00 0.00 0.00 179.25 180.71 1x6g n GLY 70 N -1.39 5.17 0.72 0.00 0.00 -1.26 -4.07 105.19 104.36 1x6g n GLY 70 Ca 0.04 -1.66 -0.00 0.00 0.00 0.00 0.00 46.02 44.40 1x6g n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6g n ALA 71 N -1.04 2.25 -2.45 4.61 0.00 0.21 -5.03 120.51 119.06 1x6g n ALA 71 Ca 0.58 -0.93 -0.17 0.00 0.00 0.00 0.00 53.44 52.92 1x6g n ALA 71 Cb 1.19 -0.39 -0.11 0.00 0.00 0.00 0.00 19.45 20.14 1x6g n ALA 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x6g s LEU 72 N 0.00 2.43 0.24 0.00 1.43 -1.22 -3.33 118.68 118.23 1x6g s LEU 72 Ca 0.06 -0.86 -0.07 0.00 -1.03 0.00 0.00 54.13 52.24 1x6g s LEU 72 Cb 0.07 -0.53 -0.02 0.00 0.03 0.00 0.00 46.19 45.74 1x6g s LEU 72 CO -0.03 -0.17 0.34 0.00 0.23 0.00 0.00 176.35 176.71 1x6g s ARG 73 N -2.90 1.45 -0.43 1.70 1.04 0.26 -4.87 118.95 115.21 1x6g s ARG 73 Ca 0.11 -1.47 -0.22 0.00 -1.04 0.00 0.00 55.73 53.11 1x6g s ARG 73 Cb -0.03 0.39 0.02 0.00 -2.04 0.00 0.00 34.95 33.28 1x6g s ARG 73 CO 0.03 -0.56 0.70 -2.00 -0.04 0.00 0.00 175.30 173.43 1x6g s GLU 74 N -3.96 3.40 0.15 3.89 2.12 -1.26 -0.45 118.70 122.58 1x6g s GLU 74 Ca 0.30 -0.19 -0.34 0.00 0.36 0.00 0.00 54.97 55.11 1x6g s GLU 74 Cb 0.02 -3.92 -0.16 0.00 0.26 0.00 0.00 34.13 30.33 1x6g s GLU 74 CO 0.12 -1.01 1.11 -2.13 -0.54 0.00 0.00 175.26 172.81 1x6g n ARG 75 N 6.41 0.91 -2.88 4.30 0.63 -1.26 -4.85 116.66 119.93 1x6g n ARG 75 Ca 0.00 0.33 -0.43 0.00 -0.92 0.00 0.00 57.85 56.82 1x6g n ARG 75 Cb 0.48 -1.79 -0.03 0.00 0.45 0.00 0.00 32.46 31.57 1x6g n ARG 75 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1x6g s SER 76 N -0.06 6.35 0.00 6.15 0.15 -1.26 -4.93 113.70 120.10 1x6g s SER 76 Ca 0.75 -1.40 0.00 0.00 0.70 0.00 0.00 55.95 56.01 1x6g s SER 76 Cb -0.92 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 60.98 1x6g s SER 76 CO 0.53 -1.30 0.00 0.61 1.20 0.00 0.00 173.24 174.28 1x6g n GLY 77 N 5.45 3.52 0.14 9.45 0.00 -1.26 -5.06 105.19 117.43 1x6g n GLY 77 Ca 0.07 -1.04 -0.17 0.00 0.00 0.00 0.00 46.02 44.89 1x6g n GLY 77 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x6g h PRO 78 N 0.00 0.40 -3.40 1.61 0.13 -2.05 -3.50 132.00 125.20 1x6g h PRO 78 Ca 0.00 -0.39 0.35 0.00 -0.87 0.00 0.00 66.00 65.09 1x6g h PRO 78 Cb 0.00 0.10 -0.16 0.00 0.13 0.00 0.00 31.00 31.07 1x6g h PRO 78 CO 0.00 1.05 -1.06 0.43 -0.23 0.00 0.00 178.00 178.19 1x6g n SER 79 N -4.27 -8.05 -4.41 1.44 7.64 -1.26 -4.97 113.62 99.74 1x6g n SER 79 Ca -0.10 1.21 -0.22 0.00 1.01 0.00 0.00 58.87 60.77 1x6g n SER 79 Cb 0.62 -4.77 -0.10 0.00 -1.01 0.00 0.00 64.21 58.95 1x6g n SER 79 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x6g s SER 80 N -7.15 3.13 0.00 6.43 1.04 -1.26 -5.29 113.70 110.60 1x6g s SER 80 Ca 0.00 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.44 1x6g s SER 80 Cb 0.00 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.90 1x6g s SER 80 CO 0.00 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.80